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15966-01-5 | 2-Propanol, 1-(2-oxiranylmethoxy)-
CAS No: 15966-01-5 Catalog No: AG001RA1 MDL No:
Product Description
Catalog Number:
AG001RA1
Chemical Name:
2-Propanol, 1-(2-oxiranylmethoxy)-
CAS Number:
15966-01-5
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
IUPAC Name:
1-(oxiran-2-ylmethoxy)propan-2-ol
InChI:
InChI=1S/C6H12O3/c1-5(7)2-8-3-6-4-9-6/h5-7H,2-4H2,1H3
InChI Key:
LHXNVCCLDTYJGT-UHFFFAOYSA-N
SMILES:
CC(COCC1CO1)O
NSC Number:
56513
Properties
Complexity:
84.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
132.159g/mol
Monoisotopic Mass:
132.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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